6-Bromo-2-(1-Methyl-1H-Imidazol-5-Yl)-7-{4-[(5-Methyl-1,2-Oxazol-3-Yl)Methyl]-1-Piperazinyl}-1H-Imidazo[4,5-B]Pyridine

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Properties Simple | Detailed

Formula C19H21BrN8O
IUPAC Name 3-[[4-[6-bromo-2-(1-methyl-4h-imidazol-1-ium-4-ylium-5-yl)imidazo[4,5-b]pyridin-1-ium-6-id-7-yl]piperazin-1-yl]methyl]-5-methyl-4h-isoxazol-1-ium-4-ide
Molecular Mass 457.327 g·mol−1
Heat of Formation 497.0 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 470.75 Å 3
Surface Area 365.94 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
InChIKey QWRJMSZUKHRINI-UHFFFAOYSA-N
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Elements H C O Br N